SCHEMBL31366919

SCHEMBL31366919

COc1cccc(CBr)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6172229 1.00 IDO1 (0.42) IDO1TAAR1CA12CA1CA2
SCHEMBL31689794 0.83 TAAR1 (0.50) IDO1TAAR1CA12CA1CA2
SCHEMBL31689793 0.83 TAAR1 (0.50) IDO1TAAR1CA12CA1CA2
SCHEMBL6172860 0.81 ALOX5 (0.46) IDO1TAAR1CHRM2CHRM1SMN1; SMN2
SCHEMBL12948348 0.81 L3MBTL1 (0.47) IDO1TAAR1CA12CA1CA2
SCHEMBL10889311 0.81 MEN1 (0.51) ALDH1A1MAPTKDM4ELMNAPOLB
SCHEMBL17804 0.80 IDO1 (0.57) IDO1TAAR1CA12CA1CA2
SCHEMBL29377714 0.80 IDO1 (0.57) IDO1TAAR1CA12CA1CA2
SCHEMBL13744996 0.80 GABRA1 (0.48) IDO1TAAR1CA12CA1CA2
SCHEMBL2811529 0.79 GABRA1 (0.42) TAAR1ALDH1A1MAPTGAAMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119487006-A Amide compounds as PGE2 receptor antagonists 广东新契生物医药科技有限公司 2025-02-18 CN disclosed